DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL122206_dpp4

Atoms: 288
Models: 9
Best Energy: -7.658 kcal/mol

Binding Energies:
  • Pose 1: -7.658 kcal/mol
  • Pose 2: -7.38 kcal/mol
  • Pose 3: -7.299 kcal/mol
  • Pose 4: -7.252 kcal/mol
  • Pose 5: -7.051 kcal/mol
  • Pose 6: -6.907 kcal/mol
  • Pose 7: -6.668 kcal/mol
  • Pose 8: -6.346 kcal/mol
  • Pose 9: -6.206 kcal/mol
CHEMBL122206_dpp4
Energy Plot
RMSD Scatter Plot